2-methylpropane;(Z)-4-propylhept-4-en-2-yne

C14H26 — CID 144516980

IUPAC2-methylpropane;(Z)-4-propylhept-4-en-2-yne
SMILESCC#C/C(=C\CC)CCC.CC(C)C
InChIInChI=1S/C10H16.C4H10/c1-4-7-10(8-5-2)9-6-3;1-4(2)3/h7H,4-5,8H2,1-3H3;4H,1-3H3/b10-7-;
InChIKeyNIMGRSZAKVDBRG-VEZAGKLZSA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds3

About 2-methylpropane;(Z)-4-propylhept-4-en-2-yne

2-methylpropane;(Z)-4-propylhept-4-en-2-yne (PubChem CID 144516980) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-methylpropane;(Z)-4-propylhept-4-en-2-yne.

Molecular Properties

Compound Name2-methylpropane;(Z)-4-propylhept-4-en-2-yne
PubChem CID144516980
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2-methylpropane;(Z)-4-propylhept-4-en-2-yne
SMILESCC#C/C(=C\CC)CCC.CC(C)C
InChIInChI=1S/C10H16.C4H10/c1-4-7-10(8-5-2)9-6-3;1-4(2)3/h7H,4-5,8H2,1-3H3;4H,1-3H3/b10-7-;
InChIKeyNIMGRSZAKVDBRG-VEZAGKLZSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4-ethylnon-3-en-5-yne
CID 5368780
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
3-ethyl-N-methylhex-2-en-4-yn-1-amine
CID 123486240
(2Z,4E)-4-prop-1-ynylhepta-2,4-diene
CID 143706304
(Z)-3-fluoro-2-methylhex-3-ene
CID 23563725
4-ethynyloct-4-ene
CID 85203899
4-ethylhepta-1,3-dien-5-yne
CID 123484500
(E)-2-ethylpent-2-enenitrile
CID 5358335
2-propylidenedecane-1,1-diol
CID 174657973
4-ethenoxyhept-3-ene
CID 174661198
methyl (E)-6-hydroxy-3-propylhept-2-en-4-ynoate
CID 135083739
(E)-3-propan-2-ylhex-2-ene
CID 142020071

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;(Z)-4-propylhept-4-en-2-yne?
The IUPAC name of 2-methylpropane;(Z)-4-propylhept-4-en-2-yne (CID 144516980) is 2-methylpropane;(Z)-4-propylhept-4-en-2-yne.
What is the SMILES notation for 2-methylpropane;(Z)-4-propylhept-4-en-2-yne?
The canonical SMILES for 2-methylpropane;(Z)-4-propylhept-4-en-2-yne is CC#C/C(=C\CC)CCC.CC(C)C.
What is the InChIKey of 2-methylpropane;(Z)-4-propylhept-4-en-2-yne?
The InChIKey is NIMGRSZAKVDBRG-VEZAGKLZSA-N. The full InChI is InChI=1S/C10H16.C4H10/c1-4-7-10(8-5-2)9-6-3;1-4(2)3/h7H,4-5,8H2,1-3H3;4H,1-3H3/b10-7-;.
What are the key properties of 2-methylpropane;(Z)-4-propylhept-4-en-2-yne?
2-methylpropane;(Z)-4-propylhept-4-en-2-yne has a molecular weight of 194.36 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(Z)-4-propylhept-4-en-2-yne is sourced from PubChem (CID 144516980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).